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canSAR1145052
FEATURES
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NAMES
    SMILES
    CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)[C@@H](C)O)C(N)=O
    InChI
    InChI=1S/C37H52N6O10/c1-20(2)16-25(32(38)48)39-35(51)28(19-44)42-37(53)31(22(5)45)43-34(50)27(18-29(46)47)40-33(49)26(17-21(3)4)41-36(52)30(23-12-8-6-9-13-23)24-14-10-7-11-15-24/h6-15,20-22,25-28,30-31,44-45H,16-19H2,1-5H3,(H2,38,48)(H,39,51)(H,40,49)(H,41,52)(H,42,53)(H,43,50)(H,46,47)/t22-,25+,26+,27+,28+,31+/m1/s1
    MOLECULAR FORMULA
    C37H52N6O10
    CROSS REFERENCES
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    canSAR1145052

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 740.37
    AlogP -0.33
    HBond donors 10
    HBond acceptors 16
    Atoms 105
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1145052.